| CAS Number | 197159-25-4 |
| Catalog Number | AG01DU33(AGN-PC-0QOT2C) |
| Chemical Name | (S)-Tert-Butyl 2-((Tert-Butoxycarbonyl)Amino)-5-(Methoxy(Methyl)Amino)-5-Oxopentanoate |
| IUPAC Name | tert-butyl (2S)-5-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate |
| InChI | InChI=1S/C16H30N2O6/c1-15(2,3)23-13(20)11(9-10-12(19)18(7)22-8)17-14(21)24-16(4,5)6/h11H,9-10H2,1-8H3,(H,17,21)/t11-/m0/s1 |
| InChI Key | KZYLEOANPQRWKH-NSHDSACASA-N |
| MDL Number | MFCD30472115 |
| Molecular Formula | C16H30N2O6 |
| Molecular Weight | 346.4192 |
| SMILES | CON(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Synonyms | (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-5-(methoxy(methyl)amino)-5-oxopentanoate,
197159-25-4,
SCHEMBL1200667,
KZYLEOANPQRWKH-NSHDSACASA-N,
MFCD30472115,
AKOS030628224,
ZINC115482469,
(4S)-N-Methyl-N-methoxy-5-(tert-butoxy)-4-[(tert-butoxycarbonyl)amino]-5-oxopentanamide,
(S)-t-Butyl 2-((tert-butoxycarbonyl)amino)-5-(methoxy(methyl)amino)-5-oxopentanoate,
(S)-tert-butyl 3,11,11-trimethyl-4,9-dioxo-2,10-dioxa-3,8-diazadodecane-7-carboxylate,
CID11244915,
N/A,
Tert-butyl (2S)-4-(methoxy-methyl-carbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.424g/mol |
| Monoisotopic Mass | 346.21g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 94.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number